2-methyl-N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine

C13H16F3N5 — CID 66449772

IUPAC2-methyl-N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cncc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C13H16F3N5/c1-12(2,3)18-7-9-6-17-8-11(19-9)21-5-4-10(20-21)13(14,15)16/h4-6,8,18H,7H2,1-3H3
InChIKeyKZMKOMCYOWVLBS-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.57
Rot. Bonds3

About 2-methyl-N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine

2-methyl-N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine (PubChem CID 66449772) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is 2-methyl-N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine
PubChem CID66449772
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC Name2-methyl-N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cncc(-n2ccc(C(F)(F)F)n2)n1
InChIInChI=1S/C13H16F3N5/c1-12(2,3)18-7-9-6-17-8-11(19-9)21-5-4-10(20-21)13(14,15)16/h4-6,8,18H,7H2,1-3H3
InChIKeyKZMKOMCYOWVLBS-UHFFFAOYSA-N
XLogP2.57
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine (CID 66449772) is 2-methyl-N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1cncc(-n2ccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-methyl-N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine?
The InChIKey is KZMKOMCYOWVLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-12(2,3)18-7-9-6-17-8-11(19-9)21-5-4-10(20-21)13(14,15)16/h4-6,8,18H,7H2,1-3H3.
What are the key properties of 2-methyl-N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine?
2-methyl-N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine has a molecular weight of 299.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[6-[3-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 66449772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).